Materials Data on RbNO3 by Materials Project

doi:10.17188/1262790

Title: Materials Data on RbNO3 by Materials Project

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Abstract

RbNO3 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.41 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.60 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are nine inequivalent O2-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-5073

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; RbNO3; N-O-Rb

OSTI Identifier:: 1262790

DOI:: https://doi.org/10.17188/1262790

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                    The Materials Project. Materials Data on RbNO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262790.

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                    The Materials Project. Materials Data on RbNO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262790

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                    The Materials Project. 2020.  
"Materials Data on RbNO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262790.  https://www.osti.gov/servlets/purl/1262790. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1262790,

  title        = {Materials Data on RbNO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbNO3 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.41 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.60 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom.},

  doi          = {10.17188/1262790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262790

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Materials Data on RbNO3 by Materials Project

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RbNO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form corner-sharing RbO6 octahedra. The corner-sharing octahedral tilt angles are 77°. All Rb–O bond lengths are 2.92 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one N5+ atom.
Materials Data on RbNO3 by Materials Project

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RbNO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form a mixture of distorted corner, edge, and face-sharing RbO12 cuboctahedra. There are a spread of Rb–O bond distances ranging from 3.02–3.34 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distortedmore »« less
Materials Data on RbNO3 by Materials Project

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RbNO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted corner-sharing RbO6 octahedra. The corner-sharing octahedral tilt angles are 75°. All Rb–O bond lengths are 2.97 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one N5+ atom.
Materials Data on RbNO3 by Materials Project

Dataset The Materials Project

RbNO3 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.16 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.19 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging frommore »« less
Materials Data on RbNO3 by Materials Project

Dataset The Materials Project

RbNO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.92 Å) and six longer (3.13 Å) Rb–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one N5+ atom.

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